Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside
TL;DR: Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside (CAS 78738-53-1) is a chemical compound with molecular formula C11H14N4O3S and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
Also Known As: C-2',3'-OH-ara-6-SH-purine, Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside, 6H-Purine-6-thione, 9-(2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)-1,9-dihydro-, (1alpha,2alpha,3beta,4alpha)-, 9-[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purine-6-thione, 9-[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
| Molecular Formula | C11H14N4O3S |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | -0.23601 |
| Topological Polar Surface Area | 107.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07867 |
| Heavy Atoms | 19 |
| Complexity | 654.67285 |
Chemical Identifiers
| CAS Number | 78738-53-1 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C2NC=NC3=S)O)O)CO |
Product Overview
Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside (CAS 78738-53-1), with molecular formula C11H14N4O3S and molecular weight 282.08 g/mol. IUPAC: 9-[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione.
Chemical Property Profile of Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside
Property Insights of Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside
The XLogP value of -0.23601 indicates that Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside. Following Lipinski's Rule of Five, Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside?
The CAS number of Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside is 78738-53-1.
What is the molecular formula of Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside?
The molecular formula of Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside is C11H14N4O3S.
What is the molecular weight of Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside?
The molecular weight of Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside is 282.08 g/mol.
Where can I buy Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside?
You can request a quote for Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside?
Yes, KEHONG BIO provides custom synthesis services for Carbocyclic-2',3'-hydroxy-ara-6-mercaptopurine nucleoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.